3-Buten-2-one, 4-((1R,5S)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-rel-

  • Identifiers

    CAS number
    472-46-8

    Molecular formula
    C14H22O

    SMILES
    C[C@H]1CC=C([C@H](C1(C)C)/C=C/C(=O)C)C
    HHO

  • Odor profile

    woody 90.31%
    floral 83.35%
    sweet 81.68%
    violet 71.95%
    powdery 62.41%
    orris 60.55%
    berry 59.41%
    fruity 54.0%
    dry 44.09%
    tobacco 41.27%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2 Well soluble in DEP, BB, IAA

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • 0.0026 hPa @ 20°C
    • 0.0045 hPa @ 25°C

    Evaporation rate
    Very slow

  • Synonyms

    • (-)-cis-alpha-Irone
    • H1S72UQN7X
    • 3-Buten-2-one, 4-((1R,5S)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-rel-
    • 472-46-8
    • 8F80723Z06
    • 3-Buten-2-one, 4-((1R,5S)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-
    • 89888-03-9
    • alpha-Irone, cis-
    • (+/-)-cis-alpha-Irone
    • DL-cis-alpha-Irone [MI]
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 3.0%
Orris extract Iris pallida L., fam. Iridaceae 33.4%